5-[3-[2-[(5-carboxy-5,8a-dimethyl-3-methylidene-2,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-3-methylcyclohex-3-en-1-yl]but-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
| Internal ID | e73aea82-36b0-4b95-b44f-ee4aaa41f15c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 5-[3-[2-[(5-carboxy-5,8a-dimethyl-3-methylidene-2,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-3-methylcyclohex-3-en-1-yl]but-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H60O4/c1-25-22-29(37(5)18-10-21-40(8,36(43)44)34(37)23-25)24-31-26(2)12-9-13-30(31)27(3)14-16-32-28(4)15-17-33-38(32,6)19-11-20-39(33,7)35(41)42/h12,14,29-34H,1,4,9-11,13,15-24H2,2-3,5-8H3,(H,41,42)(H,43,44) |
| InChI Key | GFOAWJOSPPOQAR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H60O4 |
| Molecular Weight | 604.90 g/mol |
| Exact Mass | 604.44916039 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 10.00 |
| There are no found synonyms. |
![2D Structure of 5-[3-[2-[(5-carboxy-5,8a-dimethyl-3-methylidene-2,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-3-methylcyclohex-3-en-1-yl]but-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6b35cba0-855e-11ee-8c4d-55979f74d533.jpg "2D Structure of 5-[3-[2-[(5-carboxy-5,8a-dimethyl-3-methylidene-2,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-3-methylcyclohex-3-en-1-yl]but-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.34% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.74% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.55% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.55% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.90% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.15% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.66% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.23% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.18% | 91.19% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.43% | 91.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cunninghamia lanceolata |
| PubChem | 162969034 |
| LOTUS | LTS0085306 |
| wikiData | Q105007666 |